methyl 2-[(3,5-dinitrophenyl)carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[(3,5-dinitrophenyl)carbonylamino]-3-phenyl-propanoate Openeye Name: methyl 2-[(3,5-dinitrobenzoyl)amino]-3-phenyl-propanoate CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[(3,5-dinitrobenzoyl)amino]-3-phenylpropanoate Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]-3-phenyl-propionic acid methyl ester Formula: C17H15N3O7 MolecularWeight: 373.3169

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H15N3O7/c1-27-17(22)15(7-11-5-3-2-4-6-11)18-16(21)12-8-13(19(23)24)10-14(9-12)20(25)26/h2-6,8-10,15H,7H2,1H3,(H,18,21)