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

Systemtic Name: dimethyl 1-[(4-bromophenyl)amino]-10-cyano-4-methyl-benzo[a]azulene-2,3-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C26H19BrN2O4 MolecularWeight: 503.34406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C(C3=CC=CC=CC3=C12)C#N)NC4=CC=C(C=C4)Br)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(C2=C(C3=CC=CC=CC3=C12)C#N)NC4=CC=C(C=C4)Br)C(=O)OC)C(=O)OC

InChI

InChI=1S/C26H19BrN2O4/c1-14-20-18-8-6-4-5-7-17(18)19(13-28)22(20)24(29-16-11-9-15(27)10-12-16)23(26(31)33-3)21(14)25(30)32-2/h4-12,29H,1-3H3