methyl 2-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]-2-methyl-propanoate

Systemtic Name: methyl 2-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]-2-methyl-propanoate Openeye Name: methyl 2-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]-2-methyl-propanoate CAS Name: 2-[[[4-(1-azepanyl)-3-nitrophenyl]-oxomethyl]amino]-2-methylpropanoic acid methyl ester IUPAC Name: methyl 2-[[4-(azepan-1-yl)-3-nitrobenzoyl]amino]-2-methylpropanoate Traditional Name: 2-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]-2-methyl-propionic acid methyl ester Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)OC)NC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C(=O)OC)NC(=O)C1=CC(=C(C=C1)N2CCCCCC2)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O5/c1-18(2,17(23)26-3)19-16(22)13-8-9-14(15(12-13)21(24)25)20-10-6-4-5-7-11-20/h8-9,12H,4-7,10-11H2,1-3H3,(H,19,22)