4-[(3-ethoxy-3-oxidanylidene-propyl)amino]-3-nitro-benzoic acid

Systemtic Name: 4-[(3-ethoxy-3-oxidanylidene-propyl)amino]-3-nitro-benzoic acid Openeye Name: 4-[(3-ethoxy-3-oxo-propyl)amino]-3-nitro-benzoic acid CAS Name: 4-[(3-ethoxy-3-oxopropyl)amino]-3-nitrobenzoic acid IUPAC Name: 4-[(3-ethoxy-3-oxopropyl)amino]-3-nitrobenzoic acid Traditional Name: 4-[(3-ethoxy-3-keto-propyl)amino]-3-nitro-benzoic acid Formula: C12H14N2O6 MolecularWeight: 282.24936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-]

InChI

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