trimethyl 1-[(4-bromophenyl)amino]-4-methyl-benzo[a]azulene-2,3,10-tricarboxylate

Systemtic Name: trimethyl 1-[(4-bromophenyl)amino]-4-methyl-benzo[a]azulene-2,3,10-tricarboxylate Openeye Name: trimethyl 1-(4-bromoanilino)-4-methyl-benzo[a]azulene-2,3,10-tricarboxylate CAS Name: 1-(4-bromoanilino)-4-methylbenzo[a]azulene-2,3,10-tricarboxylic acid trimethyl ester IUPAC Name: trimethyl 1-(4-bromoanilino)-4-methylbenzo[a]azulene-2,3,10-tricarboxylate Traditional Name: 1-(4-bromoanilino)-4-methyl-benz[a]azulene-2,3,10-tricarboxylic acid trimethyl ester Formula: C27H22BrNO6 MolecularWeight: 536.37068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1C3=CC=CC=CC3=C2C(=O)OC)NC4=CC=C(C=C4)Br)C(=O)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1C3=CC=CC=CC3=C2C(=O)OC)NC4=CC=C(C=C4)Br)C(=O)OC)C(=O)OC

InChI

InChI=1S/C27H22BrNO6/c1-14-19-17-8-6-5-7-9-18(17)21(26(31)34-3)22(19)24(29-16-12-10-15(28)11-13-16)23(27(32)35-4)20(14)25(30)33-2/h5-13,29H,1-4H3