2-[[1-[(4-cyanophenyl)amino]-2-nitro-ethyl]amino]ethanoic acid

Systemtic Name: 2-[[1-[(4-cyanophenyl)amino]-2-nitro-ethyl]amino]ethanoic acid Openeye Name: 2-[[1-(4-cyanoanilino)-2-nitro-ethyl]amino]acetic acid CAS Name: 2-[[1-(4-cyanoanilino)-2-nitroethyl]amino]acetic acid IUPAC Name: 2-[[1-(4-cyanoanilino)-2-nitroethyl]amino]acetic acid Traditional Name: 2-[[1-(4-cyanoanilino)-2-nitro-ethyl]amino]acetic acid Formula: C11H12N4O4 MolecularWeight: 264.23738

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(C[N+](=O)[O-])NCC(=O)O

Isomeric SMILES

C1=CC(=CC=C1C#N)NC(C[N+](=O)[O-])NCC(=O)O

InChI

InChI=1S/C11H12N4O4/c12-5-8-1-3-9(4-2-8)14-10(7-15(18)19)13-6-11(16)17/h1-4,10,13-14H,6-7H2,(H,16,17)