ethyl 3-[[4-[ethyl(propan-2-yl)amino]phenyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: ethyl 3-[[4-[ethyl(propan-2-yl)amino]phenyl]carbamoyl]-5-nitro-benzoate Openeye Name: ethyl 3-[[4-[ethyl(isopropyl)amino]phenyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[4-[ethyl(propan-2-yl)amino]anilino]-oxomethyl]-5-nitrobenzoic acid ethyl ester IUPAC Name: ethyl 3-[[4-[ethyl(propan-2-yl)amino]phenyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[4-[ethyl(isopropyl)amino]phenyl]carbamoyl]-5-nitro-benzoic acid ethyl ester Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-5-23(14(3)4)18-9-7-17(8-10-18)22-20(25)15-11-16(21(26)29-6-2)13-19(12-15)24(27)28/h7-14H,5-6H2,1-4H3,(H,22,25)