methyl 3-[[4-(diethylamino)phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[4-(diethylamino)phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[4-(diethylamino)phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-(diethylamino)anilino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[4-(diethylamino)phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-(diethylamino)phenyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O5/c1-4-21(5-2)16-8-6-15(7-9-16)20-18(23)13-10-14(19(24)27-3)12-17(11-13)22(25)26/h6-12H,4-5H2,1-3H3,(H,20,23)