dimethyl 10-cyano-4-methyl-1-phenylazanyl-benzo[a]azulene-2,3-dicarboxylate

Systemtic Name: dimethyl 10-cyano-4-methyl-1-phenylazanyl-benzo[a]azulene-2,3-dicarboxylate Openeye Name: dimethyl 1-anilino-10-cyano-4-methyl-benzo[a]azulene-2,3-dicarboxylate CAS Name: 1-anilino-10-cyano-4-methylbenzo[a]azulene-2,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-anilino-10-cyano-4-methylbenzo[a]azulene-2,3-dicarboxylate Traditional Name: 1-anilino-10-cyano-4-methyl-benz[a]azulene-2,3-dicarboxylic acid dimethyl ester Formula: C26H20N2O4 MolecularWeight: 424.448

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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=CC=C4)C(=O)OC)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C26H20N2O4/c1-15-20-18-13-9-5-8-12-17(18)19(14-27)22(20)24(28-16-10-6-4-7-11-16)23(26(30)32-3)21(15)25(29)31-2/h4-13,28H,1-3H3