ethyl 3-[(3-chloranyl-2-morpholin-4-yl-phenyl)carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[(3-chloranyl-2-morpholin-4-yl-phenyl)carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[(3-chloro-2-morpholino-phenyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[3-chloro-2-(4-morpholinyl)anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[(3-chloro-2-morpholin-4-ylphenyl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[(3-chloro-2-morpholino-phenyl)carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C20H20ClN3O6 MolecularWeight: 433.8423

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C(=CC=C2)Cl)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)NC2=C(C(=CC=C2)Cl)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN3O6/c1-2-30-20(26)14-10-13(11-15(12-14)24(27)28)19(25)22-17-5-3-4-16(21)18(17)23-6-8-29-9-7-23/h3-5,10-12H,2,6-9H2,1H3,(H,22,25)