N-[(4-methylphenyl)methyl]-3-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-propyl-propanamide

Systemtic Name: N-[(4-methylphenyl)methyl]-3-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)-N-propyl-propanamide Openeye Name: 3-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-propyl-N-(p-tolylmethyl)propanamide CAS Name: N-[(4-methylphenyl)methyl]-3-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide IUPAC Name: N-[(4-methylphenyl)methyl]-3-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-N-propylpropanamide Traditional Name: 3-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-(4-methylbenzyl)-N-propyl-propionamide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=CC=C(C=C1)C)C(=O)CCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CCCN(CC1=CC=C(C=C1)C)C(=O)CCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C21H23N3O5/c1-3-11-22(14-16-6-4-15(2)5-7-16)20(25)10-12-23-18-9-8-17(24(27)28)13-19(18)29-21(23)26/h4-9,13H,3,10-12,14H2,1-2H3