(2R)-4-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[2-(4-nitroanilino)-2-oxo-ethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[2-(4-nitroanilino)-2-oxoethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[2-(4-nitroanilino)-2-oxoethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[2-keto-2-(4-nitroanilino)ethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1CN(C2=CC=CC=C2O1)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCNC(=O)[C@H]1CN(C2=CC=CC=C2O1)CC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5/c1-2-11-21-20(26)18-12-23(16-5-3-4-6-17(16)29-18)13-19(25)22-14-7-9-15(10-8-14)24(27)28/h3-10,18H,2,11-13H2,1H3,(H,21,26)(H,22,25)/t18-/m1/s1