[2-bromanyl-4-[(E)-3-[(2-chloranyl-4-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-6-ethoxy-phenyl] naphthalene-1-carboxylate

Systemtic Name: [2-bromanyl-4-[(E)-3-[(2-chloranyl-4-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-6-ethoxy-phenyl] naphthalene-1-carboxylate Openeye Name: [2-bromo-4-[(E)-3-(2-chloro-4-nitro-anilino)-2-cyano-3-oxo-prop-1-enyl]-6-ethoxy-phenyl] naphthalene-1-carboxylate CAS Name: 1-naphthalenecarboxylic acid [2-bromo-4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-6-ethoxyphenyl] ester IUPAC Name: [2-bromo-4-[(E)-3-(2-chloro-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-6-ethoxyphenyl] naphthalene-1-carboxylate Traditional Name: naphthalene-1-carboxylic acid [2-bromo-4-[(E)-3-(2-chloro-4-nitro-anilino)-2-cyano-3-keto-prop-1-enyl]-6-ethoxy-phenyl] ester Formula: C29H19BrClN3O6 MolecularWeight: 620.83466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=C(C#N)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Br)OC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)Br)OC(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C29H19BrClN3O6/c1-2-39-26-14-17(12-19(16-32)28(35)33-25-11-10-20(34(37)38)15-24(25)31)13-23(30)27(26)40-29(36)22-9-5-7-18-6-3-4-8-21(18)22/h3-15H,2H2,1H3,(H,33,35)/b19-12+