methyl 2-[3-nitro-4-(pentan-2-ylamino)phenyl]carbonylbenzoate

Systemtic Name: methyl 2-[3-nitro-4-(pentan-2-ylamino)phenyl]carbonylbenzoate Openeye Name: methyl 2-[4-(1-methylbutylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[3-nitro-4-(pentan-2-ylamino)phenyl]-oxomethyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-nitro-4-(pentan-2-ylamino)benzoyl]benzoate Traditional Name: 2-[4-(1-methylbutylamino)-3-nitro-benzoyl]benzoic acid methyl ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CCCC(C)NC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5/c1-4-7-13(2)21-17-11-10-14(12-18(17)22(25)26)19(23)15-8-5-6-9-16(15)20(24)27-3/h5-6,8-13,21H,4,7H2,1-3H3