2-[4-(2-hydroxyethylcarbamoyl)-2-nitro-phenyl]-3-methyl-3,6-dihydro-1,2-oxazine-6-carboxylic acid

Systemtic Name: 2-[4-(2-hydroxyethylcarbamoyl)-2-nitro-phenyl]-3-methyl-3,6-dihydro-1,2-oxazine-6-carboxylic acid Openeye Name: 2-[4-(2-hydroxyethylcarbamoyl)-2-nitro-phenyl]-3-methyl-3,6-dihydrooxazine-6-carboxylic acid CAS Name: 2-[4-[(2-hydroxyethylamino)-oxomethyl]-2-nitrophenyl]-3-methyl-3,6-dihydrooxazine-6-carboxylic acid IUPAC Name: 2-[4-(2-hydroxyethylcarbamoyl)-2-nitrophenyl]-3-methyl-3,6-dihydrooxazine-6-carboxylic acid Traditional Name: 2-[4-(2-hydroxyethylcarbamoyl)-2-nitro-phenyl]-3-methyl-3,6-dihydrooxazine-6-carboxylic acid Formula: C15H17N3O7 MolecularWeight: 351.31138

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(ON1C2=C(C=C(C=C2)C(=O)NCCO)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1C=CC(ON1C2=C(C=C(C=C2)C(=O)NCCO)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H17N3O7/c1-9-2-5-13(15(21)22)25-17(9)11-4-3-10(8-12(11)18(23)24)14(20)16-6-7-19/h2-5,8-9,13,19H,6-7H2,1H3,(H,16,20)(H,21,22)