diethyl 1-[(4-bromophenyl)amino]-10-cyano-4-methyl-benzo[a]azulene-2,3-dicarboxylate

Systemtic Name: diethyl 1-[(4-bromophenyl)amino]-10-cyano-4-methyl-benzo[a]azulene-2,3-dicarboxylate Openeye Name: diethyl 1-(4-bromoanilino)-10-cyano-4-methyl-benzo[a]azulene-2,3-dicarboxylate CAS Name: 1-(4-bromoanilino)-10-cyano-4-methylbenzo[a]azulene-2,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 1-(4-bromoanilino)-10-cyano-4-methylbenzo[a]azulene-2,3-dicarboxylate Traditional Name: 1-(4-bromoanilino)-10-cyano-4-methyl-benz[a]azulene-2,3-dicarboxylic acid diethyl ester Formula: C28H23BrN2O4 MolecularWeight: 531.39722

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C3C=CC=CC=C3C(=C2C(=C1C(=O)OCC)NC4=CC=C(C=C4)Br)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C3C=CC=CC=C3C(=C2C(=C1C(=O)OCC)NC4=CC=C(C=C4)Br)C#N)C

InChI

InChI=1S/C28H23BrN2O4/c1-4-34-27(32)23-16(3)22-20-10-8-6-7-9-19(20)21(15-30)24(22)26(25(23)28(33)35-5-2)31-18-13-11-17(29)12-14-18/h6-14,31H,4-5H2,1-3H3