methyl 2-nitro-5-(propan-2-ylamino)benzoate

Systemtic Name: methyl 2-nitro-5-(propan-2-ylamino)benzoate Openeye Name: methyl 5-(isopropylamino)-2-nitro-benzoate CAS Name: 2-nitro-5-(propan-2-ylamino)benzoic acid methyl ester IUPAC Name: methyl 2-nitro-5-(propan-2-ylamino)benzoate Traditional Name: 5-(isopropylamino)-2-nitro-benzoic acid methyl ester Formula: C11H14N2O4 MolecularWeight: 238.23986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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