4-[2-cyanoethyl(methyl)amino]-3-nitro-benzoate

Systemtic Name: 4-[2-cyanoethyl(methyl)amino]-3-nitro-benzoate Openeye Name: 4-[2-cyanoethyl(methyl)amino]-3-nitro-benzoate CAS Name: 4-[2-cyanoethyl(methyl)amino]-3-nitrobenzoate IUPAC Name: 4-[2-cyanoethyl(methyl)amino]-3-nitrobenzoate Traditional Name: 4-[2-cyanoethyl(methyl)amino]-3-nitro-benzoate Formula: C11H10N3O4- MolecularWeight: 248.2148

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C1=C(C=C(C=C1)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CN(CCC#N)C1=C(C=C(C=C1)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C11H11N3O4/c1-13(6-2-5-12)9-4-3-8(11(15)16)7-10(9)14(17)18/h3-4,7H,2,6H2,1H3,(H,15,16)/p-1