dodecyl 4-[(4-nitrophenyl)methyl]quinazoline-2-carboxylate

Systemtic Name: dodecyl 4-[(4-nitrophenyl)methyl]quinazoline-2-carboxylate Openeye Name: dodecyl 4-[(4-nitrophenyl)methyl]quinazoline-2-carboxylate CAS Name: 4-[(4-nitrophenyl)methyl]-2-quinazolinecarboxylic acid dodecyl ester IUPAC Name: dodecyl 4-[(4-nitrophenyl)methyl]quinazoline-2-carboxylate Traditional Name: 4-(4-nitrobenzyl)quinazoline-2-carboxylic acid lauryl ester Formula: C28H35N3O4 MolecularWeight: 477.5952

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=NC2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=NC2=CC=CC=C2C(=N1)CC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C28H35N3O4/c1-2-3-4-5-6-7-8-9-10-13-20-35-28(32)27-29-25-15-12-11-14-24(25)26(30-27)21-22-16-18-23(19-17-22)31(33)34/h11-12,14-19H,2-10,13,20-21H2,1H3