[5-(4-methylpentanoylamino)-2-nitro-phenyl] propanoate

Systemtic Name: [5-(4-methylpentanoylamino)-2-nitro-phenyl] propanoate Openeye Name: [5-(4-methylpentanoylamino)-2-nitro-phenyl] propanoate CAS Name: propanoic acid [5-[(4-methyl-1-oxopentyl)amino]-2-nitrophenyl] ester IUPAC Name: [5-(4-methylpentanoylamino)-2-nitrophenyl] propanoate Traditional Name: propionic acid [5-(4-methylpentanoylamino)-2-nitro-phenyl] ester Formula: C15H20N2O5 MolecularWeight: 308.3297

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C=CC(=C1)NC(=O)CCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)OC1=C(C=CC(=C1)NC(=O)CCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O5/c1-4-15(19)22-13-9-11(6-7-12(13)17(20)21)16-14(18)8-5-10(2)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,16,18)