2-[2-[[3-nitro-5-(propan-2-ylideneamino)oxy-phenyl]amino]-2-oxidanylidene-ethoxy]ethanoic acid

Systemtic Name: 2-[2-[[3-nitro-5-(propan-2-ylideneamino)oxy-phenyl]amino]-2-oxidanylidene-ethoxy]ethanoic acid Openeye Name: 2-[2-[3-(isopropylideneamino)oxy-5-nitro-anilino]-2-oxo-ethoxy]acetic acid CAS Name: 2-[2-[3-nitro-5-(propan-2-ylideneamino)oxyanilino]-2-oxoethoxy]acetic acid IUPAC Name: 2-[2-[3-nitro-5-(propan-2-ylideneamino)oxyanilino]-2-oxoethoxy]acetic acid Traditional Name: 2-[2-[3-(isopropylideneamino)oxy-5-nitro-anilino]-2-keto-ethoxy]acetic acid Formula: C13H15N3O7 MolecularWeight: 325.2741

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NOC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COCC(=O)O)C

Isomeric SMILES

CC(=NOC1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)COCC(=O)O)C

InChI

InChI=1S/C13H15N3O7/c1-8(2)15-23-11-4-9(3-10(5-11)16(20)21)14-12(17)6-22-7-13(18)19/h3-5H,6-7H2,1-2H3,(H,14,17)(H,18,19)