3-[(2-chlorophenyl)methyl]benzamide; ethyl 4-nitrobenzoate

Systemtic Name: 3-[(2-chlorophenyl)methyl]benzamide; ethyl 4-nitrobenzoate Openeye Name: 3-[(2-chlorophenyl)methyl]benzamide; ethyl 4-nitrobenzoate CAS Name: 3-[(2-chlorophenyl)methyl]benzamide; 4-nitrobenzoic acid ethyl ester IUPAC Name: 3-[(2-chlorophenyl)methyl]benzamide; ethyl 4-nitrobenzoate Traditional Name: 3-(2-chlorobenzyl)benzamide; 4-nitrobenzoic acid ethyl ester Formula: C23H21ClN2O5 MolecularWeight: 440.87624

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-].C1=CC=C(C(=C1)CC2=CC=CC(=C2)C(=O)N)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)[N+](=O)[O-].C1=CC=C(C(=C1)CC2=CC=CC(=C2)C(=O)N)Cl

InChI

InChI=1S/C14H12ClNO.C9H9NO4/c15-13-7-2-1-5-11(13)8-10-4-3-6-12(9-10)14(16)17;1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h1-7,9H,8H2,(H2,16,17);3-6H,2H2,1H3