ethyl 2-(ethoxycarbonylamino)-3-methyl-4-nitro-6-propyl-benzoate

Systemtic Name: ethyl 2-(ethoxycarbonylamino)-3-methyl-4-nitro-6-propyl-benzoate Openeye Name: ethyl 2-(ethoxycarbonylamino)-3-methyl-4-nitro-6-propyl-benzoate CAS Name: 2-(ethoxycarbonylamino)-3-methyl-4-nitro-6-propylbenzoic acid ethyl ester IUPAC Name: ethyl 2-(ethoxycarbonylamino)-3-methyl-4-nitro-6-propylbenzoate Traditional Name: 2-(carbethoxyamino)-3-methyl-4-nitro-6-propyl-benzoic acid ethyl ester Formula: C16H22N2O6 MolecularWeight: 338.35568

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C(=C1C(=O)OCC)NC(=O)OCC)C)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=C(C(=C1C(=O)OCC)NC(=O)OCC)C)[N+](=O)[O-]

InChI

InChI=1S/C16H22N2O6/c1-5-8-11-9-12(18(21)22)10(4)14(17-16(20)24-7-3)13(11)15(19)23-6-2/h9H,5-8H2,1-4H3,(H,17,20)