4-(1-cyclopropylethylamino)-3-nitro-benzoic acid

Systemtic Name: 4-(1-cyclopropylethylamino)-3-nitro-benzoic acid Openeye Name: 4-(1-cyclopropylethylamino)-3-nitro-benzoic acid CAS Name: 4-(1-cyclopropylethylamino)-3-nitrobenzoic acid IUPAC Name: 4-(1-cyclopropylethylamino)-3-nitrobenzoic acid Traditional Name: 4-(1-cyclopropylethylamino)-3-nitro-benzoic acid Formula: C12H14N2O4 MolecularWeight: 250.25056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C1CC1)NC2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H14N2O4/c1-7(8-2-3-8)13-10-5-4-9(12(15)16)6-11(10)14(17)18/h4-8,13H,2-3H2,1H3,(H,15,16)