3-methylbutyl 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: 3-methylbutyl 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: isopentyl 2-[4-(methylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]benzoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[4-(methylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(methylamino)-3-nitro-benzoyl]benzoic acid isoamyl ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCOC(=O)C1=CC=CC=C1C(=O)C2=CC(=C(C=C2)NC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5/c1-13(2)10-11-27-20(24)16-7-5-4-6-15(16)19(23)14-8-9-17(21-3)18(12-14)22(25)26/h4-9,12-13,21H,10-11H2,1-3H3