[2-[cyclopropylmethyl(propyl)amino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-[cyclopropylmethyl(propyl)amino]-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-[cyclopropylmethyl(propyl)amino]-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclopropylmethyl(propyl)amino]-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-[cyclopropylmethyl(propyl)amino]-2-keto-ethyl] ester Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1CC1)C(=O)COC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CCCN(CC1CC1)C(=O)COC(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O5/c1-3-8-19(10-12-4-5-12)16(21)11-25-17(22)13-6-7-14(18-2)15(9-13)20(23)24/h6-7,9,12,18H,3-5,8,10-11H2,1-2H3