ethyl 2-methyl-6-nitro-3-oxidanylidene-4-(phenylmethyl)-1,4-benzoxazine-2-carboxylate

Systemtic Name: ethyl 2-methyl-6-nitro-3-oxidanylidene-4-(phenylmethyl)-1,4-benzoxazine-2-carboxylate Openeye Name: ethyl 4-benzyl-2-methyl-6-nitro-3-oxo-1,4-benzoxazine-2-carboxylate CAS Name: 2-methyl-6-nitro-3-oxo-4-(phenylmethyl)-1,4-benzoxazine-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-benzyl-2-methyl-6-nitro-3-oxo-1,4-benzoxazine-2-carboxylate Traditional Name: 4-benzyl-3-keto-2-methyl-6-nitro-1,4-benzoxazine-2-carboxylic acid ethyl ester Formula: C19H18N2O6 MolecularWeight: 370.35602

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1(C(=O)N(C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC3=CC=CC=C3)C

InChI

InChI=1S/C19H18N2O6/c1-3-26-18(23)19(2)17(22)20(12-13-7-5-4-6-8-13)15-11-14(21(24)25)9-10-16(15)27-19/h4-11H,3,12H2,1-2H3