3-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-(4-ethoxy-3-methoxy-phenyl)propanoic acid

Systemtic Name: 3-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-3-(4-ethoxy-3-methoxy-phenyl)propanoic acid Openeye Name: 3-[(4-chloro-3-nitro-benzoyl)amino]-3-(4-ethoxy-3-methoxy-phenyl)propanoic acid CAS Name: 3-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid IUPAC Name: 3-[(4-chloro-3-nitrobenzoyl)amino]-3-(4-ethoxy-3-methoxyphenyl)propanoic acid Traditional Name: 3-[(4-chloro-3-nitro-benzoyl)amino]-3-(4-ethoxy-3-methoxy-phenyl)propionic acid Formula: C19H19ClN2O7 MolecularWeight: 422.81636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(CC(=O)O)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])OC

InChI

InChI=1S/C19H19ClN2O7/c1-3-29-16-7-5-11(9-17(16)28-2)14(10-18(23)24)21-19(25)12-4-6-13(20)15(8-12)22(26)27/h4-9,14H,3,10H2,1-2H3,(H,21,25)(H,23,24)