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methyl 3-[ethyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]carbamoyl]-5-nitro-benzoate

methyl 3-[ethyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]carbamoyl]-5-nitro-benzoate

Systemtic Name:methyl 3-[ethyl-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]carbamoyl]-5-nitro-benzoate
Openeye Name:methyl 3-[ethyl-[2-(isopropylamino)-2-oxo-ethyl]carbamoyl]-5-nitro-benzoate
CAS Name:3-[[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester
IUPAC Name:methyl 3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]-5-nitrobenzoate
Traditional Name:3-[ethyl-[2-(isopropylamino)-2-keto-ethyl]carbamoyl]-5-nitro-benzoic acid methyl ester
Formula: C16H21N3O6
MolecularWeight: 351.35444
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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC(C)C)C(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC


Isomeric SMILES

CCN(CC(=O)NC(C)C)C(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OC


InChI

InChI=1S/C16H21N3O6/c1-5-18(9-14(20)17-10(2)3)15(21)11-6-12(16(22)25-4)8-13(7-11)19(23)24/h6-8,10H,5,9H2,1-4H3,(H,17,20)


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