methyl 3-nitro-4-(propan-2-ylamino)benzoate

Systemtic Name: methyl 3-nitro-4-(propan-2-ylamino)benzoate Openeye Name: methyl 4-(isopropylamino)-3-nitro-benzoate CAS Name: 3-nitro-4-(propan-2-ylamino)benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-(propan-2-ylamino)benzoate Traditional Name: 4-(isopropylamino)-3-nitro-benzoic acid methyl ester Formula: C11H14N2O4 MolecularWeight: 238.23986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=C(C=C(C=C1)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O4/c1-7(2)12-9-5-4-8(11(14)17-3)6-10(9)13(15)16/h4-7,12H,1-3H3