2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 4-nitroaniline

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 4-nitroaniline Openeye Name: 2-amino-5-guanidino-pentanoic acid; 4-nitroaniline CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 4-nitroaniline IUPAC Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 4-nitroaniline Traditional Name: 2-amino-5-guanidino-valeric acid; (4-nitrophenyl)amine Formula: C12H20N6O4 MolecularWeight: 312.325

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)[N+](=O)[O-].C(CC(C(=O)O)N)CN=C(N)N

Isomeric SMILES

C1=CC(=CC=C1N)[N+](=O)[O-].C(CC(C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C6H14N4O2.C6H6N2O2/c7-4(5(11)12)2-1-3-10-6(8)9;7-5-1-3-6(4-2-5)8(9)10/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1-4H,7H2