ethyl 3-[1-[4-(cyclopropylcarbonylamino)phenyl]ethylcarbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[1-[4-(cyclopropylcarbonylamino)phenyl]ethylcarbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]-5-nitro-benzoate CAS Name: 3-[[1-[4-[[cyclopropyl(oxo)methyl]amino]phenyl]ethylamino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-[1-[4-(cyclopropanecarbonylamino)phenyl]ethylcarbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC(C)C2=CC=C(C=C2)NC(=O)C3CC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC(C)C2=CC=C(C=C2)NC(=O)C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O6/c1-3-31-22(28)17-10-16(11-19(12-17)25(29)30)21(27)23-13(2)14-6-8-18(9-7-14)24-20(26)15-4-5-15/h6-13,15H,3-5H2,1-2H3,(H,23,27)(H,24,26)