ethyl 2-[(3,5-dinitrophenyl)carbonylamino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: ethyl 2-[(3,5-dinitrophenyl)carbonylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: ethyl 2-[(3,5-dinitrobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate CAS Name: 2-[[(3,5-dinitrophenyl)-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-[(3,5-dinitrobenzoyl)amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: 2-[(3,5-dinitrobenzoyl)amino]-3-(4-hydroxyphenyl)propionic acid ethyl ester Formula: C18H17N3O8 MolecularWeight: 403.34288

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O8/c1-2-29-18(24)16(7-11-3-5-15(22)6-4-11)19-17(23)12-8-13(20(25)26)10-14(9-12)21(27)28/h3-6,8-10,16,22H,2,7H2,1H3,(H,19,23)