methyl 2-azanyl-3-cyano-7a-methyl-1-(4-nitrophenyl)-5-oxidanylidene-indole-7-carboxylate

Systemtic Name: methyl 2-azanyl-3-cyano-7a-methyl-1-(4-nitrophenyl)-5-oxidanylidene-indole-7-carboxylate Openeye Name: methyl 2-amino-3-cyano-7a-methyl-1-(4-nitrophenyl)-5-oxo-indole-7-carboxylate CAS Name: 2-amino-3-cyano-7a-methyl-1-(4-nitrophenyl)-5-oxo-7-indolecarboxylic acid methyl ester IUPAC Name: methyl 2-amino-3-cyano-7a-methyl-1-(4-nitrophenyl)-5-oxoindole-7-carboxylate Traditional Name: 2-amino-3-cyano-5-keto-7a-methyl-1-(4-nitrophenyl)indole-7-carboxylic acid methyl ester Formula: C18H14N4O5 MolecularWeight: 366.32756

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Descriptors Computed from Structure

Canonical SMILES:

CC12C(=CC(=O)C=C1C(=O)OC)C(=C(N2C3=CC=C(C=C3)[N+](=O)[O-])N)C#N

Isomeric SMILES

CC12C(=CC(=O)C=C1C(=O)OC)C(=C(N2C3=CC=C(C=C3)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C18H14N4O5/c1-18-14(7-12(23)8-15(18)17(24)27-2)13(9-19)16(20)21(18)10-3-5-11(6-4-10)22(25)26/h3-8H,20H2,1-2H3