2-[[4-[1-(2-methylphenyl)ethylamino]-3-nitro-phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-[1-(2-methylphenyl)ethylamino]-3-nitro-phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[3-nitro-4-[1-(o-tolyl)ethylamino]benzoyl]amino]acetic acid CAS Name: 2-[[[4-[1-(2-methylphenyl)ethylamino]-3-nitrophenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-[1-(2-methylphenyl)ethylamino]-3-nitrobenzoyl]amino]acetic acid Traditional Name: 2-[[3-nitro-4-[1-(o-tolyl)ethylamino]benzoyl]amino]acetic acid Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C)NC2=C(C=C(C=C2)C(=O)NCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1C(C)NC2=C(C=C(C=C2)C(=O)NCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O5/c1-11-5-3-4-6-14(11)12(2)20-15-8-7-13(9-16(15)21(25)26)18(24)19-10-17(22)23/h3-9,12,20H,10H2,1-2H3,(H,19,24)(H,22,23)