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

Systemtic Name: [4-[(E)-3-[(2-bromanyl-4-nitro-phenyl)amino]-2-cyano-3-oxidanylidene-prop-1-enyl]-2-ethoxy-6-iodanyl-phenyl] 4-methoxybenzoate Openeye Name: [4-[(E)-3-(2-bromo-4-nitro-anilino)-2-cyano-3-oxo-prop-1-enyl]-2-ethoxy-6-iodo-phenyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [4-[(E)-3-(2-bromo-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxy-6-iodophenyl] ester IUPAC Name: [4-[(E)-3-(2-bromo-4-nitroanilino)-2-cyano-3-oxoprop-1-enyl]-2-ethoxy-6-iodophenyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [4-[(E)-3-(2-bromo-4-nitro-anilino)-2-cyano-3-keto-prop-1-enyl]-2-ethoxy-6-iodo-phenyl] ester Formula: C26H19BrIN3O7 MolecularWeight: 692.25343

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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-])Br)I)OC(=O)C3=CC=C(C=C3)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H19BrIN3O7/c1-3-37-23-12-15(11-21(28)24(23)38-26(33)16-4-7-19(36-2)8-5-16)10-17(14-29)25(32)30-22-9-6-18(31(34)35)13-20(22)27/h4-13H,3H2,1-2H3,(H,30,32)/b17-10+