2-azanyl-5-[bis(azanyl)methylideneamino]-N-(4-nitrophenyl)-2-(phenylcarbonyl)pentanamide

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]-N-(4-nitrophenyl)-2-(phenylcarbonyl)pentanamide Openeye Name: 2-amino-2-benzoyl-5-guanidino-N-(4-nitrophenyl)pentanamide CAS Name: 2-amino-2-benzoyl-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide IUPAC Name: 2-amino-2-benzoyl-5-(diaminomethylideneamino)-N-(4-nitrophenyl)pentanamide Traditional Name: 2-amino-2-benzoyl-5-guanidino-N-(4-nitrophenyl)valeramide Formula: C19H22N6O4 MolecularWeight: 398.41578

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(CCCN=C(N)N)(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C(CCCN=C(N)N)(C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C19H22N6O4/c20-18(21)23-12-4-11-19(22,16(26)13-5-2-1-3-6-13)17(27)24-14-7-9-15(10-8-14)25(28)29/h1-3,5-10H,4,11-12,22H2,(H,24,27)(H4,20,21,23)