[1-[(butanoylamino)-(3-nitrophenyl)methyl]naphthalen-2-yl] ethanoate

Systemtic Name: [1-[(butanoylamino)-(3-nitrophenyl)methyl]naphthalen-2-yl] ethanoate Openeye Name: [1-[(butanoylamino)-(3-nitrophenyl)methyl]-2-naphthyl] acetate CAS Name: acetic acid [1-[(3-nitrophenyl)-(1-oxobutylamino)methyl]-2-naphthalenyl] ester IUPAC Name: [1-[(butanoylamino)-(3-nitrophenyl)methyl]naphthalen-2-yl] acetate Traditional Name: acetic acid [1-[butyramido-(3-nitrophenyl)methyl]-2-naphthyl] ester Formula: C23H22N2O5 MolecularWeight: 406.43118

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC(C1=CC(=CC=C1)[N+](=O)[O-])C2=C(C=CC3=CC=CC=C32)OC(=O)C

Isomeric SMILES

CCCC(=O)NC(C1=CC(=CC=C1)[N+](=O)[O-])C2=C(C=CC3=CC=CC=C32)OC(=O)C

InChI

InChI=1S/C23H22N2O5/c1-3-7-21(27)24-23(17-9-6-10-18(14-17)25(28)29)22-19-11-5-4-8-16(19)12-13-20(22)30-15(2)26/h4-6,8-14,23H,3,7H2,1-2H3,(H,24,27)