[2-(3-methoxypropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate

Systemtic Name: [2-(3-methoxypropylcarbamoylamino)-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(3-methoxypropylcarbamoylamino)-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-[[(3-methoxypropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methoxypropylcarbamoylamino)-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-keto-2-(3-methoxypropylcarbamoylamino)ethyl] ester Formula: C15H20N4O7 MolecularWeight: 368.3419

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCCCOC)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NCCCOC)[N+](=O)[O-]

InChI

InChI=1S/C15H20N4O7/c1-16-11-5-4-10(8-12(11)19(23)24)14(21)26-9-13(20)18-15(22)17-6-3-7-25-2/h4-5,8,16H,3,6-7,9H2,1-2H3,(H2,17,18,20,22)