methyl 2-[(4-acetyloxycyclohexyl)amino]-5-nitro-benzoate

Systemtic Name: methyl 2-[(4-acetyloxycyclohexyl)amino]-5-nitro-benzoate Openeye Name: methyl 2-[(4-acetoxycyclohexyl)amino]-5-nitro-benzoate CAS Name: 2-[(4-acetyloxycyclohexyl)amino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[(4-acetyloxycyclohexyl)amino]-5-nitrobenzoate Traditional Name: 2-[(4-acetoxycyclohexyl)amino]-5-nitro-benzoic acid methyl ester Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC(CC1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(=O)OC1CCC(CC1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C16H20N2O6/c1-10(19)24-13-6-3-11(4-7-13)17-15-8-5-12(18(21)22)9-14(15)16(20)23-2/h5,8-9,11,13,17H,3-4,6-7H2,1-2H3