ethyl 3,5-dimethyl-4-[(E)-(5-nitro-2-oxidanylidene-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 3,5-dimethyl-4-[(E)-(5-nitro-2-oxidanylidene-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3,5-dimethyl-4-[(E)-(5-nitro-2-oxo-indolin-3-ylidene)methyl]-1H-pyrrole-2-carboxylate CAS Name: 3,5-dimethyl-4-[(E)-(5-nitro-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3,5-dimethyl-4-[(E)-(5-nitro-2-oxo-1H-indol-3-ylidene)methyl]-1H-pyrrole-2-carboxylate Traditional Name: 4-[(E)-(2-keto-5-nitro-indolin-3-ylidene)methyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C=C2C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)/C=C/2\C3=C(C=CC(=C3)[N+](=O)[O-])NC2=O)C

InChI

InChI=1S/C18H17N3O5/c1-4-26-18(23)16-9(2)12(10(3)19-16)8-14-13-7-11(21(24)25)5-6-15(13)20-17(14)22/h5-8,19H,4H2,1-3H3,(H,20,22)/b14-8+