[(E)-1-(1-methylpyrrol-2-yl)ethylideneamino] 3-nitrobenzoate

Systemtic Name: [(E)-1-(1-methylpyrrol-2-yl)ethylideneamino] 3-nitrobenzoate Openeye Name: [(E)-1-(1-methylpyrrol-2-yl)ethylideneamino] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [(E)-1-(1-methyl-2-pyrrolyl)ethylideneamino] ester IUPAC Name: [(E)-1-(1-methylpyrrol-2-yl)ethylideneamino] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [(E)-1-(1-methylpyrrol-2-yl)ethylideneamino] ester Formula: C14H13N3O4 MolecularWeight: 287.27072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC(=O)C1=CC(=CC=C1)[N+](=O)[O-])C2=CC=CN2C

Isomeric SMILES

C/C(=N\OC(=O)C1=CC(=CC=C1)[N+](=O)[O-])/C2=CC=CN2C

InChI

InChI=1S/C14H13N3O4/c1-10(13-7-4-8-16(13)2)15-21-14(18)11-5-3-6-12(9-11)17(19)20/h3-9H,1-2H3/b15-10+