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

Systemtic Name: [2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl] 4-(methylamino)-3-nitro-benzoate Openeye Name: [2-(ethoxycarbonylamino)-2-oxo-ethyl] 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid [2-(ethoxycarbonylamino)-2-oxoethyl] ester IUPAC Name: [2-(ethoxycarbonylamino)-2-oxoethyl] 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid [2-(carbethoxyamino)-2-keto-ethyl] ester Formula: C13H15N3O7 MolecularWeight: 325.2741

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)NC)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)NC(=O)COC(=O)C1=CC(=C(C=C1)NC)[N+](=O)[O-]

InChI

InChI=1S/C13H15N3O7/c1-3-22-13(19)15-11(17)7-23-12(18)8-4-5-9(14-2)10(6-8)16(20)21/h4-6,14H,3,7H2,1-2H3,(H,15,17,19)