N-[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-3-nitro-benzamide

Systemtic Name: N-[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-3-nitro-benzamide Openeye Name: N-[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxo-pyrrolidin-3-yl]-3-nitro-benzamide CAS Name: N-[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxo-3-pyrrolidinyl]-3-nitrobenzamide IUPAC Name: N-[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-3-nitrobenzamide Traditional Name: N-[(3S)-1-(3-amidinobenzyl)-2-keto-pyrrolidin-3-yl]-3-nitro-benzamide Formula: C19H19N5O4 MolecularWeight: 381.38526

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

C1CN(C(=O)[C@H]1NC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C19H19N5O4/c20-17(21)13-4-1-3-12(9-13)11-23-8-7-16(19(23)26)22-18(25)14-5-2-6-15(10-14)24(27)28/h1-6,9-10,16H,7-8,11H2,(H3,20,21)(H,22,25)/t16-/m0/s1