(E)-2-azanyl-2-[3-[(5-methyl-2-nitro-phenyl)amino]propyl]-3-oxidanylidene-hex-4-enoic acid

Systemtic Name: (E)-2-azanyl-2-[3-[(5-methyl-2-nitro-phenyl)amino]propyl]-3-oxidanylidene-hex-4-enoic acid Openeye Name: (E)-2-amino-2-[3-(5-methyl-2-nitro-anilino)propyl]-3-oxo-hex-4-enoic acid CAS Name: (E)-2-amino-2-[3-(5-methyl-2-nitroanilino)propyl]-3-oxo-4-hexenoic acid IUPAC Name: (E)-2-amino-2-[3-(5-methyl-2-nitroanilino)propyl]-3-oxohex-4-enoic acid Traditional Name: (E)-2-amino-3-keto-2-[3-(5-methyl-2-nitro-anilino)propyl]hex-4-enoic acid Formula: C16H21N3O5 MolecularWeight: 335.35504

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Descriptors Computed from Structure

Canonical SMILES:

CC=CC(=O)C(CCCNC1=C(C=CC(=C1)C)[N+](=O)[O-])(C(=O)O)N

Isomeric SMILES

C/C=C/C(=O)C(CCCNC1=C(C=CC(=C1)C)[N+](=O)[O-])(C(=O)O)N

InChI

InChI=1S/C16H21N3O5/c1-3-5-14(20)16(17,15(21)22)8-4-9-18-12-10-11(2)6-7-13(12)19(23)24/h3,5-7,10,18H,4,8-9,17H2,1-2H3,(H,21,22)/b5-3+