(1-methoxy-1-oxidanylidene-propan-2-yl) 4-(cyclopropylamino)-3-nitro-benzoate

Systemtic Name: (1-methoxy-1-oxidanylidene-propan-2-yl) 4-(cyclopropylamino)-3-nitro-benzoate Openeye Name: (2-methoxy-1-methyl-2-oxo-ethyl) 4-(cyclopropylamino)-3-nitro-benzoate CAS Name: 4-(cyclopropylamino)-3-nitrobenzoic acid (1-methoxy-1-oxopropan-2-yl) ester IUPAC Name: (1-methoxy-1-oxopropan-2-yl) 4-(cyclopropylamino)-3-nitrobenzoate Traditional Name: 4-(cyclopropylamino)-3-nitro-benzoic acid (2-keto-2-methoxy-1-methyl-ethyl) ester Formula: C14H16N2O6 MolecularWeight: 308.28664

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC)OC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)OC)OC(=O)C1=CC(=C(C=C1)NC2CC2)[N+](=O)[O-]

InChI

InChI=1S/C14H16N2O6/c1-8(13(17)21-2)22-14(18)9-3-6-11(15-10-4-5-10)12(7-9)16(19)20/h3,6-8,10,15H,4-5H2,1-2H3