2-methoxy-10-oxidanidyl-5-oxidanylidene-11-(phenylmethyl)-11H-pyrrolo[2,1-c][1,4]benzodiazepine-5,10-diium-7-one

Systemtic Name: 2-methoxy-10-oxidanidyl-5-oxidanylidene-11-(phenylmethyl)-11H-pyrrolo[2,1-c][1,4]benzodiazepine-5,10-diium-7-one Openeye Name: 11-benzyl-2-methoxy-10-oxido-5-oxo-11H-pyrrolo[2,1-c][1,4]benzodiazepine-5,10-diium-7-one CAS Name: 2-methoxy-10-oxido-5-oxo-11-(phenylmethyl)-11H-pyrrolo[2,1-c][1,4]benzodiazepine-5,10-diium-7-one IUPAC Name: 11-benzyl-2-methoxy-10-oxido-5-oxo-11H-pyrrolo[2,1-c][1,4]benzodiazepine-5,10-diium-7-one Traditional Name: 11-benzyl-5-keto-2-methoxy-10-oxido-11H-pyrrolo[2,1-c][1,4]benzodiazepine-5,10-diium-7-one Formula: C20H17N2O4+ MolecularWeight: 349.35998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[N+](=O)C=C3C(=O)C=C[N+]3(C2CC4=CC=CC=C4)[O-]

Isomeric SMILES

COC1=CC2=C(C=C1)[N+](=O)C=C3C(=O)C=C[N+]3(C2CC4=CC=CC=C4)[O-]

InChI

InChI=1S/C20H17N2O4/c1-26-15-7-8-17-16(12-15)18(11-14-5-3-2-4-6-14)22(25)10-9-20(23)19(22)13-21(17)24/h2-10,12-13,18H,11H2,1H3/q+1