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

Systemtic Name: N-[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxidanylidene-pyrrolidin-3-yl]-2-nitro-benzamide Openeye Name: N-[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxo-pyrrolidin-3-yl]-2-nitro-benzamide CAS Name: N-[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxo-3-pyrrolidinyl]-2-nitrobenzamide IUPAC Name: N-[(3S)-1-[(3-carbamimidoylphenyl)methyl]-2-oxopyrrolidin-3-yl]-2-nitrobenzamide Traditional Name: N-[(3S)-1-(3-amidinobenzyl)-2-keto-pyrrolidin-3-yl]-2-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)13-5-3-4-12(10-13)11-23-9-8-15(19(23)26)22-18(25)14-6-1-2-7-16(14)24(27)28/h1-7,10,15H,8-9,11H2,(H3,20,21)(H,22,25)/t15-/m0/s1