[2-(2-aminocarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl] 4-chloranyl-2-nitro-benzoate

Systemtic Name: [2-(2-aminocarbonyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxidanylidene-ethyl] 4-chloranyl-2-nitro-benzoate Openeye Name: [2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxo-ethyl] 4-chloro-2-nitro-benzoate CAS Name: 4-chloro-2-nitrobenzoic acid [2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] ester IUPAC Name: [2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 4-chloro-2-nitrobenzoate Traditional Name: 4-chloro-2-nitro-benzoic acid [2-(2-carbamoyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-keto-ethyl] ester Formula: C18H14ClN3O7 MolecularWeight: 419.77266

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1C(=O)COC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C(=O)N

Isomeric SMILES

C1C(OC2=CC=CC=C2N1C(=O)COC(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C18H14ClN3O7/c19-10-5-6-11(13(7-10)22(26)27)18(25)28-9-16(23)21-8-15(17(20)24)29-14-4-2-1-3-12(14)21/h1-7,15H,8-9H2,(H2,20,24)