(2R)-4-[4-(methylamino)-3-nitro-phenyl]carbonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-[4-(methylamino)-3-nitro-phenyl]carbonyl-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-[4-(methylamino)-3-nitro-benzoyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-[4-(methylamino)-3-nitrobenzoyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[4-(methylamino)-3-nitro-benzoyl]-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)C(=O)C3=CC(=C(C=C3)NC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O5/c1-3-10-22-19(25)18-12-23(15-6-4-5-7-17(15)29-18)20(26)13-8-9-14(21-2)16(11-13)24(27)28/h4-9,11,18,21H,3,10,12H2,1-2H3,(H,22,25)/t18-/m1/s1