2-(2-azanylethanoylamino)-3-(4-azido-2-nitro-phenyl)propanoic acid

Systemtic Name: 2-(2-azanylethanoylamino)-3-(4-azido-2-nitro-phenyl)propanoic acid Openeye Name: 2-[(2-aminoacetyl)amino]-3-(4-azido-2-nitro-phenyl)propanoic acid CAS Name: 2-[(2-amino-1-oxoethyl)amino]-3-(4-azido-2-nitrophenyl)propanoic acid IUPAC Name: 2-[(2-aminoacetyl)amino]-3-(4-azido-2-nitrophenyl)propanoic acid Traditional Name: 3-(4-azido-2-nitro-phenyl)-2-(glycylamino)propionic acid Formula: C11H12N6O5 MolecularWeight: 308.25018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12N6O5/c12-5-10(18)14-8(11(19)20)3-6-1-2-7(15-16-13)4-9(6)17(21)22/h1-2,4,8H,3,5,12H2,(H,14,18)(H,19,20)