2-nitro-1-(phenylmethyl)pyrrole-3,4-dicarboxamide

Systemtic Name: 2-nitro-1-(phenylmethyl)pyrrole-3,4-dicarboxamide Openeye Name: 1-benzyl-2-nitro-pyrrole-3,4-dicarboxamide CAS Name: 2-nitro-1-(phenylmethyl)pyrrole-3,4-dicarboxamide IUPAC Name: 1-benzyl-2-nitropyrrole-3,4-dicarboxamide Traditional Name: 1-benzyl-2-nitro-pyrrole-3,4-dicarboxamide Formula: C13H12N4O4 MolecularWeight: 288.25878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4O4/c14-11(18)9-7-16(6-8-4-2-1-3-5-8)13(17(20)21)10(9)12(15)19/h1-5,7H,6H2,(H2,14,18)(H2,15,19)