ethyl 3-[(2-azanyl-3-chloranyl-5-nitro-phenyl)amino]but-2-enoate

Systemtic Name: ethyl 3-[(2-azanyl-3-chloranyl-5-nitro-phenyl)amino]but-2-enoate Openeye Name: ethyl 3-(2-amino-3-chloro-5-nitro-anilino)but-2-enoate CAS Name: 3-(2-amino-3-chloro-5-nitroanilino)-2-butenoic acid ethyl ester IUPAC Name: ethyl 3-(2-amino-3-chloro-5-nitroanilino)but-2-enoate Traditional Name: 3-(2-amino-3-chloro-5-nitro-anilino)but-2-enoic acid ethyl ester Formula: C12H14ClN3O4 MolecularWeight: 299.71026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)NC1=CC(=CC(=C1N)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C=C(C)NC1=CC(=CC(=C1N)Cl)[N+](=O)[O-]

InChI

InChI=1S/C12H14ClN3O4/c1-3-20-11(17)4-7(2)15-10-6-8(16(18)19)5-9(13)12(10)14/h4-6,15H,3,14H2,1-2H3