N-phenylmethoxycarbonyl-2-(pyrrol-1-ylamino)-N-(1H-pyrrol-2-ylcarbonyl)ethanamine oxide

Systemtic Name: N-phenylmethoxycarbonyl-2-(pyrrol-1-ylamino)-N-(1H-pyrrol-2-ylcarbonyl)ethanamine oxide Openeye Name: N-benzyloxycarbonyl-N-(1H-pyrrole-2-carbonyl)-2-(pyrrol-1-ylamino)ethanamine oxide CAS Name: N-[oxo(1H-pyrrol-2-yl)methyl]-N-phenylmethoxycarbonyl-2-(1-pyrrolylamino)ethanamine oxide IUPAC Name: N-phenylmethoxycarbonyl-N-(1H-pyrrole-2-carbonyl)-2-(pyrrol-1-ylamino)ethanamine oxide Traditional Name: N-carbobenzoxy-N-(1H-pyrrole-2-carbonyl)-2-(pyrrol-1-ylamino)ethanamine oxide Formula: C19H20N4O4 MolecularWeight: 368.3865

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)[N+](CCNN2C=CC=C2)(C(=O)C3=CC=CN3)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)[N+](CCNN2C=CC=C2)(C(=O)C3=CC=CN3)[O-]

InChI

InChI=1S/C19H20N4O4/c24-18(17-9-6-10-20-17)23(26,14-11-21-22-12-4-5-13-22)19(25)27-15-16-7-2-1-3-8-16/h1-10,12-13,20-21H,11,14-15H2