ethyl 4-[(9-cyano-8-oxidanylidene-acenaphthyleno[1,2-b]pyrrol-3-yl)amino]butanoate

Systemtic Name: ethyl 4-[(9-cyano-8-oxidanylidene-acenaphthyleno[1,2-b]pyrrol-3-yl)amino]butanoate Openeye Name: ethyl 4-[(9-cyano-8-oxo-acenaphthyleno[1,2-b]pyrrol-3-yl)amino]butanoate CAS Name: 4-[(9-cyano-8-oxo-3-acenaphthyleno[1,2-b]pyrrolyl)amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(9-cyano-8-oxoacenaphthyleno[1,2-b]pyrrol-3-yl)amino]butanoate Traditional Name: 4-[(9-cyano-8-keto-acenaphtho[1,2-b]pyrrol-3-yl)amino]butyric acid ethyl ester Formula: C21H17N3O3 MolecularWeight: 359.37798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC1=C2C=CC=C3C2=C(C=C1)C4=C(C(=O)N=C34)C#N

Isomeric SMILES

CCOC(=O)CCCNC1=C2C=CC=C3C2=C(C=C1)C4=C(C(=O)N=C34)C#N

InChI

InChI=1S/C21H17N3O3/c1-2-27-17(25)7-4-10-23-16-9-8-13-18-12(16)5-3-6-14(18)20-19(13)15(11-22)21(26)24-20/h3,5-6,8-9,23H,2,4,7,10H2,1H3