2-[(4-cyano-2-nitro-phenyl)-(cyclopropylmethyl)amino]ethanoic acid

Systemtic Name: 2-[(4-cyano-2-nitro-phenyl)-(cyclopropylmethyl)amino]ethanoic acid Openeye Name: 2-[4-cyano-N-(cyclopropylmethyl)-2-nitro-anilino]acetic acid CAS Name: 2-[4-cyano-N-(cyclopropylmethyl)-2-nitroanilino]acetic acid IUPAC Name: 2-[4-cyano-N-(cyclopropylmethyl)-2-nitroanilino]acetic acid Traditional Name: 2-[4-cyano-N-(cyclopropylmethyl)-2-nitro-anilino]acetic acid Formula: C13H13N3O4 MolecularWeight: 275.26002

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1CN(CC(=O)O)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CC1CN(CC(=O)O)C2=C(C=C(C=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O4/c14-6-10-3-4-11(12(5-10)16(19)20)15(8-13(17)18)7-9-1-2-9/h3-5,9H,1-2,7-8H2,(H,17,18)