3-(2-methoxyethanoylamino)-4-(1-nitroethyl)benzoic acid

Systemtic Name: 3-(2-methoxyethanoylamino)-4-(1-nitroethyl)benzoic acid Openeye Name: 3-[(2-methoxyacetyl)amino]-4-(1-nitroethyl)benzoic acid CAS Name: 3-[(2-methoxy-1-oxoethyl)amino]-4-(1-nitroethyl)benzoic acid IUPAC Name: 3-[(2-methoxyacetyl)amino]-4-(1-nitroethyl)benzoic acid Traditional Name: 3-[(2-methoxyacetyl)amino]-4-(1-nitroethyl)benzoic acid Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6/c1-7(14(18)19)9-4-3-8(12(16)17)5-10(9)13-11(15)6-20-2/h3-5,7H,6H2,1-2H3,(H,13,15)(H,16,17)