2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-nitroindene-1,3-dione

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-nitroindene-1,3-dione Openeye Name: 2-amino-5-guanidino-pentanoic acid; 2-nitroindane-1,3-dione CAS Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-nitroindene-1,3-dione IUPAC Name: 2-amino-5-(diaminomethylideneamino)pentanoic acid; 2-nitroindene-1,3-dione Traditional Name: 2-amino-5-guanidino-valeric acid; 2-nitroindane-1,3-quinone Formula: C15H19N5O6 MolecularWeight: 365.34126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(C2=O)[N+](=O)[O-].C(CC(C(=O)O)N)CN=C(N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(C2=O)[N+](=O)[O-].C(CC(C(=O)O)N)CN=C(N)N

InChI

InChI=1S/C9H5NO4.C6H14N4O2/c11-8-5-3-1-2-4-6(5)9(12)7(8)10(13)14;7-4(5(11)12)2-1-3-10-6(8)9/h1-4,7H;4H,1-3,7H2,(H,11,12)(H4,8,9,10)