[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] anthracene-9-carboxylate

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] anthracene-9-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] anthracene-9-carboxylate CAS Name: 9-anthracenecarboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] anthracene-9-carboxylate Traditional Name: anthracene-9-carboxylic acid [2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C29H19BrN2O5 MolecularWeight: 555.37556

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

Isomeric SMILES

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC(=O)C3=C4C=CC=CC4=CC5=CC=CC=C53

InChI

InChI=1S/C29H19BrN2O5/c30-24-17-21(32(35)36)14-15-25(24)31-28(33)27(18-8-2-1-3-9-18)37-29(34)26-22-12-6-4-10-19(22)16-20-11-5-7-13-23(20)26/h1-17,27H,(H,31,33)