methyl 3-nitro-4-[4-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)carbamoyl]piperazin-1-yl]benzoate

Systemtic Name: methyl 3-nitro-4-[4-[(3-oxidanylidene-4H-1,4-benzoxazin-6-yl)carbamoyl]piperazin-1-yl]benzoate Openeye Name: methyl 3-nitro-4-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)carbamoyl]piperazin-1-yl]benzoate CAS Name: 3-nitro-4-[4-[oxo-[(3-oxo-4H-1,4-benzoxazin-6-yl)amino]methyl]-1-piperazinyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-4-[4-[(3-oxo-4H-1,4-benzoxazin-6-yl)carbamoyl]piperazin-1-yl]benzoate Traditional Name: 4-[4-[(3-keto-4H-1,4-benzoxazin-6-yl)carbamoyl]piperazino]-3-nitro-benzoic acid methyl ester Formula: C21H21N5O7 MolecularWeight: 455.42074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCC(=O)N4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)NC3=CC4=C(C=C3)OCC(=O)N4)[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O7/c1-32-20(28)13-2-4-16(17(10-13)26(30)31)24-6-8-25(9-7-24)21(29)22-14-3-5-18-15(11-14)23-19(27)12-33-18/h2-5,10-11H,6-9,12H2,1H3,(H,22,29)(H,23,27)